Thermodynamic separations for cis and trans-amides and formylglycinamide range from 0.00 to 4.77 kcal/mol as computed at various levels of theory. The barriers for trans ← cis-isomerization, for the same set of compounds, computed at various levels of theory, were found between 15.69 and 22.67 kcal/mol. The cis- and trans-Ramachandran maps of formylglycinamide are compared and the topology of the ab initio 3D-Ramachandran map is presented for the first time. (C) 2000 Elsevier Science B.V.
- Barriers to trans- to cis-isomerization
- Relative stability of cis- and trans-peptide bonds
- Topology of a 3D-Ramachandran map
- trans- and cis-Ramachandran maps
ASJC Scopus subject areas
- Condensed Matter Physics
- Physical and Theoretical Chemistry